9-isoquinolin-5-yl-1,3-dimethyl-6-oxidanyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 9-isoquinolin-5-yl-1,3-dimethyl-6-oxidanyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-9-(5-isoquinolyl)-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-9-(5-isoquinolinyl)-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-9-isoquinolin-5-yl-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 6-hydroxy-9-(5-isoquinolyl)-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC5=C4C=CN=C5)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC5=C4C=CN=C5)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H20N6O4/c1-4-6-14-18(29)27(15-8-5-7-12-11-23-10-9-13(12)15)21-24-17-16(28(21)19(14)30)20(31)26(3)22(32)25(17)2/h5,7-11,30H,4,6H2,1-3H3